azane;2,6-dibutyl-2,6-dimethylheptanedioic acid

C17H38N2O4 — CID 173344121

IUPACazane;2,6-dibutyl-2,6-dimethylheptanedioic acid
SMILESCCCCC(C)(CCCC(C)(CCCC)C(=O)O)C(=O)O.N.N
InChIInChI=1S/C17H32O4.2H3N/c1-5-7-10-16(3,14(18)19)12-9-13-17(4,15(20)21)11-8-6-2;;/h5-13H2,1-4H3,(H,18,19)(H,20,21);2*1H3
InChIKeyBGTAJZWQBBLPHC-UHFFFAOYSA-N
MW334.50 g/mol
LogP5.04
Rot. Bonds12

About azane;2,6-dibutyl-2,6-dimethylheptanedioic acid

azane;2,6-dibutyl-2,6-dimethylheptanedioic acid (PubChem CID 173344121) has the molecular formula C17H38N2O4 and a molecular weight of 334.50 g/mol. Its IUPAC name is azane;2,6-dibutyl-2,6-dimethylheptanedioic acid.

Molecular Properties

Compound Nameazane;2,6-dibutyl-2,6-dimethylheptanedioic acid
PubChem CID173344121
Molecular FormulaC17H38N2O4
Molecular Weight334.50 g/mol
Exact Mass334.28
IUPAC Nameazane;2,6-dibutyl-2,6-dimethylheptanedioic acid
SMILESCCCCC(C)(CCCC(C)(CCCC)C(=O)O)C(=O)O.N.N
InChIInChI=1S/C17H32O4.2H3N/c1-5-7-10-16(3,14(18)19)12-9-13-17(4,15(20)21)11-8-6-2;;/h5-13H2,1-4H3,(H,18,19)(H,20,21);2*1H3
InChIKeyBGTAJZWQBBLPHC-UHFFFAOYSA-N
XLogP5.04
TPSA144.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.50
LogP ≤ 55.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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2-hexyl-2-methyldodecanedioic acid
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2-methyl-2-[2-(sulfinoamino)ethyl]hexanoic acid
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6-hydroxy-2-methyl-2-propylhexanoic acid
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Frequently Asked Questions

What is the IUPAC name of azane;2,6-dibutyl-2,6-dimethylheptanedioic acid?
The IUPAC name of azane;2,6-dibutyl-2,6-dimethylheptanedioic acid (CID 173344121) is azane;2,6-dibutyl-2,6-dimethylheptanedioic acid.
What is the SMILES notation for azane;2,6-dibutyl-2,6-dimethylheptanedioic acid?
The canonical SMILES for azane;2,6-dibutyl-2,6-dimethylheptanedioic acid is CCCCC(C)(CCCC(C)(CCCC)C(=O)O)C(=O)O.N.N.
What is the InChIKey of azane;2,6-dibutyl-2,6-dimethylheptanedioic acid?
The InChIKey is BGTAJZWQBBLPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O4.2H3N/c1-5-7-10-16(3,14(18)19)12-9-13-17(4,15(20)21)11-8-6-2;;/h5-13H2,1-4H3,(H,18,19)(H,20,21);2*1H3.
What are the key properties of azane;2,6-dibutyl-2,6-dimethylheptanedioic acid?
azane;2,6-dibutyl-2,6-dimethylheptanedioic acid has a molecular weight of 334.50 g/mol, XLogP of 5.04, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,6-dibutyl-2,6-dimethylheptanedioic acid is sourced from PubChem (CID 173344121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).